Investigation on the synthesis, growth, thermal and optical behavior of creatininium borate single crystal: A potential candidate for nonlinear optical applications

Abstract

In the this study, we focus on the growth of a metal-organic creatininium borate (CRB) single crystal for third-order nonlinear optical (NLO) applications. Optically transparent & wide optical band gap single crystals of CRB were successfully harvested by adopting a slow evaporation solution technique (SEST) at a constant 40[Formula: see text]C temperature. The structural identification and lattice parameters of the grown sample were determined by powder X-ray diffraction (PXRD) using Rietveld analysis by FullProf Suite software. The occurrence of vacancy/interstitial defects produced during growth was investigated by high-resolution X-ray diffraction (HRXRD) using omega scan arrangement. A single peak with lower full width half maxima (56.4 arc s) was obtained from the scan which suggests that there were no grain boundaries for the grown crystal. Surface morphology and its features such as concentration of dislocations and defect sites on the as-grown sample were scrutinized using the etching technique. The optical band gap and UV–vis cut-off were examined and found to be 5.39 eV and 230 nm, respectively. Photoluminescence characteristics of the crystal show an emission at 377 nm upon excitation with a wavelength of 336 nm. The presence of radiative and non-radiative transitions inside the crystal due to excitation upon 266 nm laser was identified using time-resolved photoluminescence. Thermal stability and decomposition temperature of the compound were obtained by thermo-gravimetric analysis (TGA) and differential scanning calorimetry (DSC). The third-order nonlinearity of the crystal was determined by Z-scan measurement technique with a femtosecond Ti-sapphire laser.